4N6Y
Pim1 Complexed with a phenylcarboxamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 160 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 1.54 |
Spacegroup name | P 65 |
Unit cell lengths | 97.875, 97.875, 80.454 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.200 - 2.600 |
R-factor | 0.1592 |
Rwork | 0.157 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.110 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.178 | 0.833 |
Number of reflections | 13638 | |
<I/σ(I)> | 10.3 | 2.4 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.5 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | RESERVOIR SOLUTION - 0.7M (NH4)2HPO4, 0.3M NACL, 0.1M NACITRATE, PH 5.5, PROTEIN SOLUTION - 7.5MG/ML IN 20MM HEPES, 100MM NACL, 5MM DTT, PH 8, COMPOUND WAS SOAKED IN, TEMPERATURE 298.0K, VAPOR DIFFUSION, HANGING DROP |